Y3Er
Alexandria ALEXAlex-ID: agm014620723 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3_1868_spg166
YEr5 Y5Er
2025-04-01 23:05:16
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014620723).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm014620723
data_agm014620723
_cell_length_a 6.70840
_cell_length_b 7.27522
_cell_length_c 8.44500
_cell_angle_alpha 89.98007
_cell_angle_beta 102.22543
_cell_angle_gamma 105.73996
_cell_volume 386.99283
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Y1 Y 0.78063 0.57116 0.52916 1.00000
Y2 Y 0.44905 0.73932 0.19464 1.00000
Y3 Y 0.44570 0.23755 0.19461 1.00000
Y4 Y 0.89273 0.59991 0.13952 1.00000
Y5 Y 0.22503 0.93282 0.47332 1.00000
Y6 Y 0.78337 0.07306 0.52734 1.00000
Y7 Y 0.11313 0.40440 0.86043 1.00000
Y8 Y 0.55580 0.26466 0.80582 1.00000
Y9 Y 0.55810 0.76741 0.80586 1.00000
Er1 Er 0.89297 0.10001 0.13889 1.00000
Er2 Er 0.22481 0.43313 0.47101 1.00000
Er3 Er 0.11244 0.90519 0.86283 1.00000
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